1-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-pyridin-2-one

Systemtic Name: 1-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-pyridin-2-one Openeye Name: 1-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-pyridin-2-one CAS Name: 1-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-2-pyridinone IUPAC Name: 1-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitropyridin-2-one Traditional Name: 1-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-nitro-2-pyridone Formula: C19H24N3O5+ MolecularWeight: 374.41096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C=C(C=CC3=O)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C=C(C=CC3=O)[N+](=O)[O-])OCC

InChI

InChI=1S/C19H23N3O5/c1-3-26-17-9-14-7-8-20(11-15(14)10-18(17)27-4-2)13-21-12-16(22(24)25)5-6-19(21)23/h5-6,9-10,12H,3-4,7-8,11,13H2,1-2H3/p+1